2-N,2-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine

C15H28N2O — CID 80558446

IUPAC2-N,2-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine
SMILESCCCCCC(C)(CN)N(C)Cc1ccoc1C
InChIInChI=1S/C15H28N2O/c1-5-6-7-9-15(3,12-16)17(4)11-14-8-10-18-13(14)2/h8,10H,5-7,9,11-12,16H2,1-4H3
InChIKeyDZNQAAXKPIGNBM-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.32
Rot. Bonds8

About 2-N,2-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine

2-N,2-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine (PubChem CID 80558446) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine
PubChem CID80558446
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-N,2-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine
SMILESCCCCCC(C)(CN)N(C)Cc1ccoc1C
InChIInChI=1S/C15H28N2O/c1-5-6-7-9-15(3,12-16)17(4)11-14-8-10-18-13(14)2/h8,10H,5-7,9,11-12,16H2,1-4H3
InChIKeyDZNQAAXKPIGNBM-UHFFFAOYSA-N
XLogP3.32
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-[(2-bromophenyl)methyl]-2-N,2-dimethylheptane-1,2-diamine
CID 80558338
2-N-[(2-fluorophenyl)methyl]-2-N,2-dimethylnonane-1,2-diamine
CID 63470423
2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine
CID 61426720
2-N,2-dimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,2-diamine
CID 80557362
2-N-butyl-2-N,2-dimethylnonane-1,2-diamine
CID 43089517
2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine
CID 43294671
2-ethyl-2-N,4-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]hexane-1,2-diamine
CID 61426285
2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine
CID 79476491
2-methyl-3-pentylfuran
CID 12555082
2-(aminomethyl)-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide
CID 113270027
2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine
CID 55227526
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine (CID 80558446) is 2-N,2-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine is CCCCCC(C)(CN)N(C)Cc1ccoc1C.
What is the InChIKey of 2-N,2-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine?
The InChIKey is DZNQAAXKPIGNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-6-7-9-15(3,12-16)17(4)11-14-8-10-18-13(14)2/h8,10H,5-7,9,11-12,16H2,1-4H3.
What are the key properties of 2-N,2-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine?
2-N,2-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine has a molecular weight of 252.40 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine is sourced from PubChem (CID 80558446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).